Abhijeet Dhakane

I am a computational materials scientist working at the intersection of atomistic simulation, artificial intelligence, and high-performance computing. I earned my Ph.D. in Data Science and Engineering through the Bredesen Center at the University of Tennessee, with research conducted at Oak Ridge National Laboratory. My work focuses on physics-informed and AI-driven approaches for nanoscale materials and next-generation memory and energy devices, integrating large-scale molecular dynamics, machine learning, and autonomous workflows, with particular interest in simulation-driven discovery and the mechanistic interpretability of scientific machine learning models.

University of Tennessee, Knoxville, USA

University of Texas at Arligton, Arlington, USA

Savitribai Phule Pune University, Pune, India

The Bredesen Center for Interdisciplinary Research (University of Tennessee Knoxville - Oak Ridge National Laboratory), Knoxville, TN, USA

University of Texas at Arlington, Arlington, TX, USA

Oak Ridge National Laboratory, Oak Ridge, TN, USA

University of Texas at Arlington Research Institute, Arlington, TX, USA

Savitraibai Phule Pune University, Pune, India

A Graph Dynamical Neural Network Approach for Decoding Dynamical States in Ferroelectrics

Abhijeet Dhakane , Tian Xie , Dundar Yilmaz , Adri van Duin , Bobby G. Sumpter , P. Ganesh

Smoky Mountain Data Challenge 2021 – An Open Call to Solve Scientific Data Challenges Using Advanced Data Analytics and Edge Computing

Abhijeet Dhakane , et al.

Molecular dynamics simulations of separator–cathode interfacial thermal transport in a Li-ion cell

Abhijeet Dhakane , Vikas Varshney , Juan Liu , Hendrik Heinz , Ankur Jain

Surface, Interface, and Temperature Effects on the Phase Separation and Nanoparticle Self-Assembly of Bi-metallic Ni0.5Ag0.5

R. H. Allaire , Abhijeet Dhakane , R. Emery , P. Ganesh , P. D. Rack , L. Kondic , L. Cummings , M. Fuentes-Cabrera

Understanding Switching in Hexagonal Ferroelectrics by Combining Large-scale Reactive MD and Experiments

Abhijeet Dhakane , Alireza Sepehrinezhad , Kyle Kelley , Adri van Duin , P. Ganesh

Understanding Dynamics of Heterogeneous Ferroelectric Oxides at the Nanoscale Using Graph Neural Networks on Reactive Force-Field Simulations

Abhijeet Dhakane , Tian Xie , Dundar Yilmaz , Adri van Duin , Bobby G. Sumpter , P. Ganesh

Understanding Dynamics of Heterogeneous Ferroelectric Oxides at the Nanoscale Using Graph Neural Networks on Reactive Force-Field Simulations

Abhijeet Dhakane , Tian Xie , Dundar Yilmaz , Adri van Duin , Bobby G. Sumpter , P. Ganesh

Unraveling Hidden Order and Dynamics in a Heterogeneous Ferroelectric System Using Machine Learning

Abhijeet Dhakane , P. Ganesh , N. Sivadas

Understanding Switching in Hexagonal Ferroelectrics by Combining Large-scale Reactive MD and Experiments

Abhijeet Dhakane , Alireza Sepehrinezhad , Kyle Kelley , Adri van Duin , P. Ganesh

Nature computational science (Reviewer) 2025 - ongoing

Nature communications (Reviewer) 2024 - ongoing

Physica Status Solidi (B) (Wiley) (Reviewer) 2024 - ongoing

IOP Science - Physica Scripta (Reviewer) 2024 - ongoing

Physica Status Solidi - Rapid Research Letetrs (Wiley) (Reviewer) 2023 - ongoing

Physical Review X [Letters, B, Materials], (Reviewer) 2023 - ongoing